N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine

C14H16ClF2N3 — CID 114650579

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)c1c(Cl)cnn1CC
InChIInChI=1S/C14H16ClF2N3/c1-3-18-13(10-6-5-9(16)7-12(10)17)14-11(15)8-19-20(14)4-2/h5-8,13,18H,3-4H2,1-2H3
InChIKeyMQQFHDOSTOBXFK-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.53
Rot. Bonds5

About N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine

N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine (PubChem CID 114650579) has the molecular formula C14H16ClF2N3 and a molecular weight of 299.75 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine
PubChem CID114650579
Molecular FormulaC14H16ClF2N3
Molecular Weight299.75 g/mol
Exact Mass299.10
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1F)c1c(Cl)cnn1CC
InChIInChI=1S/C14H16ClF2N3/c1-3-18-13(10-6-5-9(16)7-12(10)17)14-11(15)8-19-20(14)4-2/h5-8,13,18H,3-4H2,1-2H3
InChIKeyMQQFHDOSTOBXFK-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 114906523
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 105040678
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651112
N-[(2-bromo-4-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042540
N-[(4-chloro-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 105040874
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 114652982
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114659063
[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336356
N-[(3-bromo-2-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 107953676
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 114658521
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105040716
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 105041814

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine (CID 114650579) is N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1F)c1c(Cl)cnn1CC.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine?
The InChIKey is MQQFHDOSTOBXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2N3/c1-3-18-13(10-6-5-9(16)7-12(10)17)14-11(15)8-19-20(14)4-2/h5-8,13,18H,3-4H2,1-2H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine?
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine has a molecular weight of 299.75 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 114650579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).